7-benzamido-1-(2-chloro-5-fluorophenyl)-N-methyl-3-oxo-1,2-dihydroisoindole-5-carboxamide

C23H17ClFN3O3 — CID 166822784

IUPAC7-benzamido-1-(2-chloro-5-fluorophenyl)-N-methyl-3-oxo-1,2-dihydroisoindole-5-carboxamide
SMILESCNC(=O)c1cc(NC(=O)c2ccccc2)c2c(c1)C(=O)NC2c1cc(F)ccc1Cl
InChIInChI=1S/C23H17ClFN3O3/c1-26-21(29)13-9-16-19(18(10-13)27-22(30)12-5-3-2-4-6-12)20(28-23(16)31)15-11-14(25)7-8-17(15)24/h2-11,20H,1H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyWDDGIFJDVPYCTA-UHFFFAOYSA-N
MW437.86 g/mol
LogP3.92
Rot. Bonds4

About 7-benzamido-1-(2-chloro-5-fluorophenyl)-N-methyl-3-oxo-1,2-dihydroisoindole-5-carboxamide

7-benzamido-1-(2-chloro-5-fluorophenyl)-N-methyl-3-oxo-1,2-dihydroisoindole-5-carboxamide (PubChem CID 166822784) has the molecular formula C23H17ClFN3O3 and a molecular weight of 437.86 g/mol. Its IUPAC name is 7-benzamido-1-(2-chloro-5-fluorophenyl)-N-methyl-3-oxo-1,2-dihydroisoindole-5-carboxamide.

Molecular Properties

Compound Name7-benzamido-1-(2-chloro-5-fluorophenyl)-N-methyl-3-oxo-1,2-dihydroisoindole-5-carboxamide
PubChem CID166822784
Molecular FormulaC23H17ClFN3O3
Molecular Weight437.86 g/mol
Exact Mass437.09
IUPAC Name7-benzamido-1-(2-chloro-5-fluorophenyl)-N-methyl-3-oxo-1,2-dihydroisoindole-5-carboxamide
SMILESCNC(=O)c1cc(NC(=O)c2ccccc2)c2c(c1)C(=O)NC2c1cc(F)ccc1Cl
InChIInChI=1S/C23H17ClFN3O3/c1-26-21(29)13-9-16-19(18(10-13)27-22(30)12-5-3-2-4-6-12)20(28-23(16)31)15-11-14(25)7-8-17(15)24/h2-11,20H,1H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyWDDGIFJDVPYCTA-UHFFFAOYSA-N
XLogP3.92
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.86
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-benzamido-1-(2-chloro-5-fluorophenyl)-N-methyl-3-oxo-1,2-dihydroisoindole-5-carboxamide?
The IUPAC name of 7-benzamido-1-(2-chloro-5-fluorophenyl)-N-methyl-3-oxo-1,2-dihydroisoindole-5-carboxamide (CID 166822784) is 7-benzamido-1-(2-chloro-5-fluorophenyl)-N-methyl-3-oxo-1,2-dihydroisoindole-5-carboxamide.
What is the SMILES notation for 7-benzamido-1-(2-chloro-5-fluorophenyl)-N-methyl-3-oxo-1,2-dihydroisoindole-5-carboxamide?
The canonical SMILES for 7-benzamido-1-(2-chloro-5-fluorophenyl)-N-methyl-3-oxo-1,2-dihydroisoindole-5-carboxamide is CNC(=O)c1cc(NC(=O)c2ccccc2)c2c(c1)C(=O)NC2c1cc(F)ccc1Cl.
What is the InChIKey of 7-benzamido-1-(2-chloro-5-fluorophenyl)-N-methyl-3-oxo-1,2-dihydroisoindole-5-carboxamide?
The InChIKey is WDDGIFJDVPYCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O3/c1-26-21(29)13-9-16-19(18(10-13)27-22(30)12-5-3-2-4-6-12)20(28-23(16)31)15-11-14(25)7-8-17(15)24/h2-11,20H,1H3,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of 7-benzamido-1-(2-chloro-5-fluorophenyl)-N-methyl-3-oxo-1,2-dihydroisoindole-5-carboxamide?
7-benzamido-1-(2-chloro-5-fluorophenyl)-N-methyl-3-oxo-1,2-dihydroisoindole-5-carboxamide has a molecular weight of 437.86 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzamido-1-(2-chloro-5-fluorophenyl)-N-methyl-3-oxo-1,2-dihydroisoindole-5-carboxamide is sourced from PubChem (CID 166822784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).